5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole

C10H12F3N3O — CID 169104879

IUPAC5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1noc(CC2CC3(CNC3)C2)n1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-15-7(17-16-8)1-6-2-9(3-6)4-14-5-9/h6,14H,1-5H2
InChIKeyNIONZCNMMJDLJE-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.63
Rot. Bonds2

About 5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole

5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 169104879) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID169104879
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1noc(CC2CC3(CNC3)C2)n1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-15-7(17-16-8)1-6-2-9(3-6)4-14-5-9/h6,14H,1-5H2
InChIKeyNIONZCNMMJDLJE-UHFFFAOYSA-N
XLogP1.63
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 171533011
2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483607
5-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 82007711
[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]-[6-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 171533201
6-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptane
CID 175919334
1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine
CID 130899232
[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 56763752
6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 170785120
3-[3-(2-azaspiro[3.3]heptan-6-yl)propyl]-5-(trifluoromethyl)-1,2-oxazole
CID 171092910
6-[[6-(1,1-difluoroethyl)pyridazin-3-yl]methyl]-2-azaspiro[3.3]heptane
CID 169105363
1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine
CID 122565038
N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 56760730

Frequently Asked Questions

What is the IUPAC name of 5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole (CID 169104879) is 5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole is FC(F)(F)c1noc(CC2CC3(CNC3)C2)n1.
What is the InChIKey of 5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is NIONZCNMMJDLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)8-15-7(17-16-8)1-6-2-9(3-6)4-14-5-9/h6,14H,1-5H2.
What are the key properties of 5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 247.22 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 169104879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).